@MOLECULE 91667651 32 35 1 SMALL USER_CHARGES @ATOM 1 C1 -0.0028 -0.0467 -0.2341 C.2 1 noname -0.0238 2 C2 1.2738 -0.0587 -0.7839 C.2 1 noname -0.0277 3 C3 -0.5065 1.1206 0.3279 C.2 1 noname -0.0467 4 C4 -0.7756 -1.2019 -0.2462 C.2 1 noname -0.0388 5 C5 2.0467 1.0966 -0.7717 C.2 1 noname -0.0354 6 C6 1.7775 -1.2259 -1.3459 C.2 1 noname -0.0349 7 C7 0.2663 2.2759 0.3401 C.2 1 noname -0.0412 8 C8 -2.0522 -1.1899 0.3036 C.2 1 noname -0.0433 9 C9 1.5429 2.2639 -0.2097 C.2 1 noname -0.0476 10 C10 -0.2719 -2.3692 -0.8082 C.2 1 noname -0.0422 11 C11 -1.7831 1.1326 0.8777 C.2 1 noname -0.0481 12 C12 1.0047 -2.3812 -1.3580 C.2 1 noname -0.0418 13 C13 -2.5559 -0.0227 0.8656 C.2 1 noname -0.0583 14 C14 3.3232 1.0846 -1.3215 C.2 1 noname -0.0456 15 C15 3.0541 -1.2379 -1.8957 C.2 1 noname -0.0457 16 C16 -0.2628 3.5020 0.9304 C.3 1 noname 0.0022 17 C17 3.8270 -0.0827 -1.8835 C.2 1 noname -0.0529 18 C18 -2.8640 -2.4034 0.2908 C.3 1 noname 0.0017 19 H1 2.1100 3.1117 -0.2008 H 1 noname 0.0632 20 H2 -0.8390 -3.2170 -0.8171 H 1 noname 0.0629 21 H3 -2.1527 1.9892 1.2901 H 1 noname 0.0629 22 H4 1.3743 -3.2378 -1.7704 H 1 noname 0.0629 23 H5 -3.4927 -0.0138 1.2690 H 1 noname 0.0625 24 H6 3.8904 1.9324 -1.3126 H 1 noname 0.0629 25 H7 3.4238 -2.0945 -2.3081 H 1 noname 0.0629 26 H8 0.3807 3.8168 1.7519 H 1 noname 0.0280 27 H9 -1.2692 3.3191 1.3067 H 1 noname 0.0280 28 H10 -0.2948 4.2853 0.1731 H 1 noname 0.0280 29 H11 4.7637 -0.0915 -2.2870 H 1 noname 0.0623 30 H12 -3.7837 -2.2194 -0.2645 H 1 noname 0.0280 31 H13 -3.1082 -2.6879 1.3143 H 1 noname 0.0280 32 H14 -2.3061 -3.2087 -0.1869 H 1 noname 0.0280 @BOND 1 1 2 1 2 1 3 2 3 1 4 1 4 2 5 1 5 2 6 2 6 3 7 1 7 3 11 1 8 4 8 2 9 4 10 1 10 5 9 1 11 5 14 2 12 6 12 1 13 6 15 1 14 7 9 2 15 7 16 1 16 8 13 1 17 8 18 1 18 9 19 1 19 10 12 2 20 10 20 1 21 11 13 2 22 11 21 1 23 12 22 1 24 13 23 1 25 14 17 1 26 14 24 1 27 15 17 2 28 15 25 1 29 16 26 1 30 16 27 1 31 16 28 1 32 17 29 1 33 18 30 1 34 18 31 1 35 18 32 1 @SUBSTRUCTURE 1 noname 1